pamellaccar/gromacs_with_packmol

A fast and simple Molecular Dynamics tutorial using GROMACS and PACKMOL.

Molecular Dynamics tutorial using GROMACS and PACKMOL

A tutorial step by step to run a classic Molecular Dynamics Simulation of a protein using GROMACS and building the ions box with PACKMOL.

GROMACS: https://www.gromacs.org/

GROMACS TUTORIALS: http://www.mdtutorials.com/gmx/

PACKMOL: http://leandro.iqm.unicamp.br/m3g/packmol/home.shtml

m3ggroup: https://github.com/m3g